| SpectraBase Compound ID | 45OVw9aT52E |
|---|---|
| InChI | InChI=1S/C10H14OS/c1-8(12)10-5-3-9(4-6-10)7-11-2/h3-6,8,12H,7H2,1-2H3 |
| InChIKey | ZGCMOUDTSMNIPZ-UHFFFAOYSA-N |
| Mol Weight | 182.28 g/mol |
| Molecular Formula | C10H14OS |
| Exact Mass | 182.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4NFlbjFPJhL |
|---|---|
| Name | Ethylmercaptan, 1-(4-methoxymethyl)phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.076536244 u |
| Formula | C10H14OS |
| InChI | InChI=1S/C10H14OS/c1-8(12)10-5-3-9(4-6-10)7-11-2/h3-6,8,12H,7H2,1-2H3 |
| InChIKey | ZGCMOUDTSMNIPZ-UHFFFAOYSA-N |
| Molecular Weight | 182.281 g/mol |
| SMILES | C1=C(COC)C=CC(=C1)C(C)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935772 |